5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine

C14H14Cl2FN3 — CID 82806067

IUPAC5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1cccc(Cl)c1F)c1cc(Cl)cnc1N
InChIInChI=1S/C14H14Cl2FN3/c1-19-12(10-6-9(15)7-20-14(10)18)5-8-3-2-4-11(16)13(8)17/h2-4,6-7,12,19H,5H2,1H3,(H2,18,20)
InChIKeyCSFHQDAWOIWPDB-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.61
Rot. Bonds4

About 5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine

5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine (PubChem CID 82806067) has the molecular formula C14H14Cl2FN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine
PubChem CID82806067
Molecular FormulaC14H14Cl2FN3
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1cccc(Cl)c1F)c1cc(Cl)cnc1N
InChIInChI=1S/C14H14Cl2FN3/c1-19-12(10-6-9(15)7-20-14(10)18)5-8-3-2-4-11(16)13(8)17/h2-4,6-7,12,19H,5H2,1H3,(H2,18,20)
InChIKeyCSFHQDAWOIWPDB-UHFFFAOYSA-N
XLogP3.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
CID 105264497
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 102866361
1-(2-bromo-3,4-difluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 107538975
2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 102866450
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102857645
1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857803
2-(3-chloro-2-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 82806277
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 102857811
1-(3-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857903
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114660124
5-chloro-3-[2-(3-fluorophenyl)-1-hydrazinylethyl]pyridin-2-amine
CID 105204807

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine (CID 82806067) is 5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine is CNC(Cc1cccc(Cl)c1F)c1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine?
The InChIKey is CSFHQDAWOIWPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3/c1-19-12(10-6-9(15)7-20-14(10)18)5-8-3-2-4-11(16)13(8)17/h2-4,6-7,12,19H,5H2,1H3,(H2,18,20).
What are the key properties of 5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine?
5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine has a molecular weight of 314.19 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 82806067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).